[Cr(uric acid(-2H))Cl(H2O)3] | 1313496-89-7

• 英文名称: [Cr(uric acid(-2H))Cl(H2O)3]
• 英文别名: Cr(uric acid(-2H))Cl(H2O)3
• CAS: 1313496-89-7
• 化学式: C₅H₈ClCrN₄O₆
• 分子量: 307.591
• InChiKey: GWCPVHDSICTUKQ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Cr(uric acid(-2H))Cl(H2O)3] 以 neat (no solvent) 为溶剂， 生成 chromium(III) oxide
  参考文献：
  名称：

  Synthesis, computational, spectroscopic, thermal and antimicrobial activity studies on some metal–urate complexes

  摘要：

  New sixteen uric acid metal complexes of different stoichiometry, stereo-chemistries and modes of interactions were synthesized using different metals Cr. Mn, Fe, Co, Ni, Cu, Cd, UO2, Na and K. The synthesized complexes were characterized by elemental analysis, spectral (IR. UV Vis and ESR) methods, thermal analysis (TG, DTA and DSC) and magnetic susceptibility studies. Molecular modeling calculations were used to characterize the ligation sites of the free ligand. Furthermore, quantum chemical parameters of uric acid such as the energies of highest occupied molecular orbital (E-HOMO), energies of lowest unoccupied molecular orbital (E-LUMO), the separation energy (Delta E = E-LUMO - E-HOMO), the absolute electronegativity, chi. the chemical potential, P-i, the absolute hardness, eta and the softness (sigma) were obtained for uric acid. Eight different microbial categories were used to study the antimicrobial activity of the free ligand and ten of its complexes. The results indicate that the ligand and its metal complexes possess antimicrobial properties. The stoichiometry of iron uric acid complex was studied by using different spectrophotometric methods. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.01.028
• 作为产物：
  描述：

  尿酸 、 水 、 三氯化铬 以 水 为溶剂， 生成 [Cr(uric acid(-2H))Cl(H2O)3]
  参考文献：
  名称：

  Synthesis, computational, spectroscopic, thermal and antimicrobial activity studies on some metal–urate complexes

  摘要：

  New sixteen uric acid metal complexes of different stoichiometry, stereo-chemistries and modes of interactions were synthesized using different metals Cr. Mn, Fe, Co, Ni, Cu, Cd, UO2, Na and K. The synthesized complexes were characterized by elemental analysis, spectral (IR. UV Vis and ESR) methods, thermal analysis (TG, DTA and DSC) and magnetic susceptibility studies. Molecular modeling calculations were used to characterize the ligation sites of the free ligand. Furthermore, quantum chemical parameters of uric acid such as the energies of highest occupied molecular orbital (E-HOMO), energies of lowest unoccupied molecular orbital (E-LUMO), the separation energy (Delta E = E-LUMO - E-HOMO), the absolute electronegativity, chi. the chemical potential, P-i, the absolute hardness, eta and the softness (sigma) were obtained for uric acid. Eight different microbial categories were used to study the antimicrobial activity of the free ligand and ten of its complexes. The results indicate that the ligand and its metal complexes possess antimicrobial properties. The stoichiometry of iron uric acid complex was studied by using different spectrophotometric methods. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.01.028